diethyl 2-azanyl-6-methyl-4-oxidanylidene-5,9-dihydro-1H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate

Systemtic Name: diethyl 2-azanyl-6-methyl-4-oxidanylidene-5,9-dihydro-1H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate Openeye Name: diethyl 2-amino-6-methyl-4-oxo-5,9-dihydro-1H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate CAS Name: 2-amino-6-methyl-4-oxo-5,9-dihydro-1H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-amino-6-methyl-4-oxo-5,9-dihydro-1H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate Traditional Name: 2-amino-4-keto-6-methyl-5,9-dihydro-1H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylic acid diethyl ester Formula: C14H19N5O5 MolecularWeight: 337.33116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(NC2=C(N1)NC(=NC2=O)N)(C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(NC2=C(N1)NC(=NC2=O)N)(C)C(=O)OCC

InChI

InChI=1S/C14H19N5O5/c1-4-23-11(21)7-6-14(3,12(22)24-5-2)19-8-9(16-7)17-13(15)18-10(8)20/h6,19H,4-5H2,1-3H3,(H4,15,16,17,18,20)